SCHEMBL13126841

SCHEMBL13126841

C[n+]1c(/C=C/c2ccc(-n3cccc3)cc2)cccc1/C=C/c1ccc(-n2cccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ INSR P06213 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10068872 0.82 INSR (0.44) NPSR1INSRKDM4EGAAL3MBTL1
SCHEMBL13822181 0.82 PDE3B (0.49) KDM4EKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL10069295 0.79 INSR (0.40) NPSR1INSRKDM4EGAAL3MBTL1
SCHEMBL13126958 0.78 ALOX5 (0.41) ACHENPSR1KDM4EPOLBKMT2A
SCHEMBL14536918 0.77 SNCA (0.54) ACHEKDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL13126898 0.76 NFE2L2 (0.48) ACHEINSRGAAPOLBKMT2A
Hydrochloric Acid SCHEMBL3451810 0.76 SNCA (0.53) ACHEKDM4EKMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL712985 0.76 SNCA (0.53) ACHEKDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL10069275 0.75 INSR (0.37) NPSR1INSRKDM4EGAAL3MBTL1
SCHEMBL10069282 0.74 ACHE (0.68) ACHEKDM4EGAAL3MBTL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 — — US disclosed
US-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 — — US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 — — US disclosed
EP-1601652-B1 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL INC (US) 2008-07-30 — — EP disclosed
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS MYCOSOL, INC. 2007-09-13 — — US disclosed
US-7220761-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2007-05-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213299-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI, BACTERIA AND INSECTS BLVRB, PNPO, PLPBP ACHE 39/4885NPSR1 3591/4885INSR 3656/4885
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 ACHE 289/4885NPSR1 3197/4885INSR 3997/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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